1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine

C14H20N2 — CID 96781240

IUPAC1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
SMILESc1cc(N2CCCC2)ccc1[C@H]1CCNC1
InChIInChI=1S/C14H20N2/c1-2-10-16(9-1)14-5-3-12(4-6-14)13-7-8-15-11-13/h3-6,13,15H,1-2,7-11H2/t13-/m0/s1
InChIKeyBNGSXBBVAKDELK-ZDUSSCGKSA-N
MW216.33 g/mol
LogP2.36
Rot. Bonds2

About 1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine

1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine (PubChem CID 96781240) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
PubChem CID96781240
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
SMILESc1cc(N2CCCC2)ccc1[C@H]1CCNC1
InChIInChI=1S/C14H20N2/c1-2-10-16(9-1)14-5-3-12(4-6-14)13-7-8-15-11-13/h3-6,13,15H,1-2,7-11H2/t13-/m0/s1
InChIKeyBNGSXBBVAKDELK-ZDUSSCGKSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841552
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 116993219
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride
CID 163230247
ethane;3-phenylpyrrolidine
CID 91032726
1-(4-pyrrolidin-3-ylphenyl)piperazine-2,5-dione
CID 117402108
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
4-pyrrolidin-3-ylbenzaldehyde
CID 84766958
2-(4-pyrrolidin-3-ylphenyl)pyrrolidine
CID 116988431
N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
CID 61015948

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine?
The IUPAC name of 1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine (CID 96781240) is 1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine?
The canonical SMILES for 1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine is c1cc(N2CCCC2)ccc1[C@H]1CCNC1.
What is the InChIKey of 1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine?
The InChIKey is BNGSXBBVAKDELK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-10-16(9-1)14-5-3-12(4-6-14)13-7-8-15-11-13/h3-6,13,15H,1-2,7-11H2/t13-/m0/s1.
What are the key properties of 1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine?
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine has a molecular weight of 216.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine is sourced from PubChem (CID 96781240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).